5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine

C14H19NO — CID 135037000

IUPAC5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine
SMILESCOC1=NCCCC1(C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-14(9-6-10-15-13(14)16-2)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyRYGCROPUJQZSRC-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.07
Rot. Bonds2

About 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine

5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine (PubChem CID 135037000) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine
PubChem CID135037000
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine
SMILESCOC1=NCCCC1(C)Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-14(9-6-10-15-13(14)16-2)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyRYGCROPUJQZSRC-UHFFFAOYSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine (CID 135037000) is 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine is COC1=NCCCC1(C)Cc1ccccc1.
What is the InChIKey of 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is RYGCROPUJQZSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(9-6-10-15-13(14)16-2)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine?
5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 217.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 135037000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).